4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol

C19H15N3O2 — CID 918325

IUPAC4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(-c2n[nH]c(COc3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C19H15N3O2/c23-16-8-5-14(6-9-16)19-20-18(21-22-19)12-24-17-10-7-13-3-1-2-4-15(13)11-17/h1-11,23H,12H2,(H,20,21,22)
InChIKeyOMMCDKFXDMBAMN-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.91
Rot. Bonds4

About 4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol

4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol (PubChem CID 918325) has the molecular formula C19H15N3O2 and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol
PubChem CID918325
Molecular FormulaC19H15N3O2
Molecular Weight317.35 g/mol
Exact Mass317.12
IUPAC Name4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol
SMILESOc1ccc(-c2n[nH]c(COc3ccc4ccccc4c3)n2)cc1
InChIInChI=1S/C19H15N3O2/c23-16-8-5-14(6-9-16)19-20-18(21-22-19)12-24-17-10-7-13-3-1-2-4-15(13)11-17/h1-11,23H,12H2,(H,20,21,22)
InChIKeyOMMCDKFXDMBAMN-UHFFFAOYSA-N
XLogP3.91
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[5-[(4-aminophenoxy)methyl]-1H-1,2,4-triazol-3-yl]aniline
CID 53264640
4-(5-benzyl-1H-1,2,4-triazol-3-yl)phenol
CID 918324
3-(methoxymethyl)-5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazole
CID 166399665
5-[(4-nitrophenoxy)methyl]-3-(4-nitrophenyl)-1H-1,2,4-triazole
CID 53264632
3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]quinoline
CID 23228256
3-(4-chlorophenyl)-5-[(3-nitrophenoxy)methyl]-1H-1,2,4-triazole
CID 66487064
2-methyl-4-[[3-(4-methylphenyl)-1H-1,2,4-triazol-5-yl]methoxy]quinazoline
CID 75202416
4-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methoxy]-2-(trifluoromethyl)quinazoline
CID 86578622
2-[[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]methoxy]aniline
CID 66487832
3-(4-fluorophenyl)-5-[5-(naphthalen-2-yloxymethyl)furan-2-yl]-1,2,4-oxadiazole
CID 19326221
5-[(4-nitrophenoxy)methyl]-3-(3-nitrophenyl)-1H-1,2,4-triazole
CID 53264626
N'-(2-naphthalen-2-yloxyacetyl)-2-(4-phenylphenoxy)acetohydrazide
CID 4512962

Frequently Asked Questions

What is the IUPAC name of 4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol (CID 918325) is 4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol is Oc1ccc(-c2n[nH]c(COc3ccc4ccccc4c3)n2)cc1.
What is the InChIKey of 4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol?
The InChIKey is OMMCDKFXDMBAMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2/c23-16-8-5-14(6-9-16)19-20-18(21-22-19)12-24-17-10-7-13-3-1-2-4-15(13)11-17/h1-11,23H,12H2,(H,20,21,22).
What are the key properties of 4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol?
4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol has a molecular weight of 317.35 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(naphthalen-2-yloxymethyl)-1H-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 918325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).